N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine

C17H25F2NO — CID 83035815

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC(C)c2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C17H25F2NO/c1-4-17(5-2)11-14(8-9-21-17)20-12(3)13-6-7-15(18)16(19)10-13/h6-7,10,12,14,20H,4-5,8-9,11H2,1-3H3
InChIKeyREPFBDFULJLAFB-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.35
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine

N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine (PubChem CID 83035815) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine
PubChem CID83035815
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC(C)c2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C17H25F2NO/c1-4-17(5-2)11-14(8-9-21-17)20-12(3)13-6-7-15(18)16(19)10-13/h6-7,10,12,14,20H,4-5,8-9,11H2,1-3H3
InChIKeyREPFBDFULJLAFB-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555
2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine
CID 115897071
N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine
CID 83033053
N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine
CID 103911511
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
N-[1-(4-bromothiophen-2-yl)ethyl]-2,2-diethyloxan-4-amine
CID 107167625
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033287
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
CID 115897078
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79895662

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine (CID 83035815) is N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine is CCC1(CC)CC(NC(C)c2ccc(F)c(F)c2)CCO1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine?
The InChIKey is REPFBDFULJLAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-4-17(5-2)11-14(8-9-21-17)20-12(3)13-6-7-15(18)16(19)10-13/h6-7,10,12,14,20H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine?
N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine has a molecular weight of 297.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine is sourced from PubChem (CID 83035815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).